| SpectraBase Spectrum ID |
DliPT3kzaCm |
| Name |
1-Butyl-2-methylindole |
| CAS Registry Number |
42951-35-9 |
| Classification |
Pharmaceutical drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
187.136099551 u |
| Formula |
C13H17N |
| InChI |
InChI=1S/C13H17N/c1-3-4-9-14-11(2)10-12-7-5-6-8-13(12)14/h5-8,10H,3-4,9H2,1-2H3 |
| InChIKey |
OPAHUBUOHKIOOL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
187.286 g/mol |
| Nominal Mass |
187 u |
| Quality |
993 |
| Retention Index |
1618 |
| SMILES |
C=12N(C(=CC2=CC=CC1)C)CCCC |
| SPLASH |
splash10-0006-2900000000-537da6d27e5f95fbb80d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1H-Indole,1-butyl,2-methyl
1-butyl-2-methyl-1H-indole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032570 |
